1-(4-tert-butylphenyl)-5-propyl-3-(2,4,4-trimethylpentyl)pyrazole-4-carboxylic acid

Systemtic Name: 1-(4-tert-butylphenyl)-5-propyl-3-(2,4,4-trimethylpentyl)pyrazole-4-carboxylic acid Openeye Name: 1-(4-tert-butylphenyl)-5-propyl-3-(2,4,4-trimethylpentyl)pyrazole-4-carboxylic acid CAS Name: 1-(4-tert-butylphenyl)-5-propyl-3-(2,4,4-trimethylpentyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-(4-tert-butylphenyl)-5-propyl-3-(2,4,4-trimethylpentyl)pyrazole-4-carboxylic acid Traditional Name: 1-(4-tert-butylphenyl)-5-propyl-3-(2,4,4-trimethylpentyl)pyrazole-4-carboxylic acid Formula: C25H38N2O2 MolecularWeight: 398.58142

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=NN1C2=CC=C(C=C2)C(C)(C)C)CC(C)CC(C)(C)C)C(=O)O

Isomeric SMILES

CCCC1=C(C(=NN1C2=CC=C(C=C2)C(C)(C)C)CC(C)CC(C)(C)C)C(=O)O

InChI

InChI=1S/C25H38N2O2/c1-9-10-21-22(23(28)29)20(15-17(2)16-24(3,4)5)26-27(21)19-13-11-18(12-14-19)25(6,7)8/h11-14,17H,9-10,15-16H2,1-8H3,(H,28,29)